SCHEMBL27718282

SCHEMBL27718282

Nc1cc(C2CCCCC2)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.64
▸ KMO O15229 1/20 0.53
▸ TBK1 Q9UHD2 5/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ IKBKE Q14164 2/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ SERPINE1 P05121 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ BACE1 P56817 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30280786 0.95 ACMSD (0.58) ACMSDKMOTBK1KDM4ETDP1
SCHEMBL27545241 0.88 ACMSD (0.53) ACMSDKMOTBK1KDM4ETDP1
SCHEMBL3985016 0.87 ACMSD (0.51) ACMSDKMOTBK1KDM4ETDP1
SCHEMBL28283624 0.87 ACMSD (0.69) ACMSDKMOTBK1KDM4ETDP1
SCHEMBL23374556 0.84 ACMSD (0.75) ACMSDKMOTBK1KDM4ETDP1
SCHEMBL27636958 0.83 ACMSD (0.47) ACMSDKMOTBK1KDM4ETDP1
SCHEMBL26800328 0.81 KDM4E (0.54) ACMSDKDM4ETDP1HTTKMT2A
SCHEMBL21857477 0.81 ACMSD (0.44) ACMSDTBK1KDM4ETDP1KMT2A
SCHEMBL27592888 0.81 ACMSD (0.76) ACMSDKMOTBK1KDM4ETDP1
SCHEMBL3901048 0.80 ACMSD (0.64) ACMSDKMOTBK1KDM4ETDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101072775-A Novel mch receptor antagonists LILLY CO ELI (US) 2007-11-14 — — CN disclosed
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